3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide

C17H21N3O5S — CID 4853313

IUPAC3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O5S/c1-11-4-5-14(18-17(21)16-12(2)19-25-13(16)3)10-15(11)26(22,23)20-6-8-24-9-7-20/h4-5,10H,6-9H2,1-3H3,(H,18,21)
InChIKeyQDNOHVSNOILKIO-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.87
Rot. Bonds4

About 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 4853313) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID4853313
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O5S/c1-11-4-5-14(18-17(21)16-12(2)19-25-13(16)3)10-15(11)26(22,23)20-6-8-24-9-7-20/h4-5,10H,6-9H2,1-3H3,(H,18,21)
InChIKeyQDNOHVSNOILKIO-UHFFFAOYSA-N
XLogP1.87
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 4853313) is 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is QDNOHVSNOILKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-4-5-14(18-17(21)16-12(2)19-25-13(16)3)10-15(11)26(22,23)20-6-8-24-9-7-20/h4-5,10H,6-9H2,1-3H3,(H,18,21).
What are the key properties of 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4853313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).